Microstegiol
Basic information
- CAS
143246-41-7- Standard SMILES
Cc1ccc2c3c1CCCC(C)(C)[C@@]3(O)C(=O)C(C(C)C)=C2- InChIKey
KIXMQGXACFNMEM-FQEVSTJZSA-N- Molecular formula
- C20H26O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.19328007
Overview
Microstegiol has been reported in Salvia verticillata, Salvia jaminiana, and other organisms with data available.
Names & identifiers
- Preferred name
- Microstegiol
- IUPAC
- (1S)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one
- English name
- Microstegiol
- Molecular formula
- C20H26O2
- Molecular weight
- 298.42
Names & synonyms
microstegiol143246-41-7(1S)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one(1S)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo(7.4.1.05,14)tetradeca-3,5(14),6,8-tetraen-2-oneRefChem:158804NSC719245orb1990990CHEMBL3814422SCHEMBL31238387HY-N10689AKOS040735831FS-7567
Show more names
(10aS)-8,9,10,10a-Tetrahydro-10a-hydroxy-6,10,10-trimethyl-2-(1-methylethyl)cyclohepta[de]naphthalen-1(7H)-oneCyclohepta[de]naphthalen-1(7H)-one, 8,9,10,10a-tetrahydro-10a-hydroxy-6,10,10-trimethyl-2-(1-methylethyl)-, (10aS)-
NSC-719245DA-55472CS-0634304T125871
Database identifiers
- CAS
143246-41-7- PubChem CID
- 403772
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 502
Physicochemical properties
- Melting point
- 70 °C · 70 °C
- Boiling point
- 433.3 · 433.3±45.0 °C(Predicted)
- Density
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 12.18 · 12.18±0.60(Predicted)
Chemistry & industry
Applications
DescriptionMigrostegiol has a little activity against B. subtilis.
UsesMicrostegiol is a diterpene that can be isolated from Salvia microstegia and the root of Zhumeria majdae[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…